schroedinger.py script¶
Solver for basic electronic structure problems.
Examples¶
Compute the 2D predefined problems:
$ ./schroedinger.py --well
$ ./schroedinger.py --oscillator
$ ./schroedinger.py --hydrogen
$ ./schroedinger.py --boron
See examples/quantum/
directory for the problem description files
corresponding to the above examples.